1-[3,5-dibromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3,5-dibromo-4-hydroxyphenyl)propan-1-one
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![1-[3,5-dibromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3,5-dibromo-4-hydroxyphenyl)propan-1-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4f0f7cb9f57e4c899e92a4b3f5f67215.png "1-[3,5-dibromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3,5-dibromo-4-hydroxyphenyl)propan-1-one")
1-[3,5-dibromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3,5-dibromo-4-hydroxyphenyl)propan-1-one
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CAS No:
86158-06-7
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Formula:
C21H20Br4O10
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Chemical Name:
1-[3,5-dibromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3,5-dibromo-4-hydroxyphenyl)propan-1-one
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Synonyms:
1,3,3',5'-tetrabromophlorhizin;tetrabromophlorizin;1,3,3',5'-Tetrabromophlorhizin;Tetrabromophlorizin;86158-06-7;DTXSID30235424;1-[2-(beta-D-Glucopyranosyloxy)-3,5-dibromo-4,6-dihydroxyphenyl]-3-(3,5-dibromo-4-hydroxyphenyl)-1-propanone;1-Propanone, 1-(3,5-dibromo-2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl)-3-(3,5-dibromo-4-hydroxyphenyl)-
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CAS No:
1-[3,5-dibromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3,5-dibromo-4-hydroxyphenyl)propan-1-one Basic Attributes
752.0 g/mol
751.77490 g/mol
DTXSID30235424
Computed Properties
Molecular Weight:752.0
XLogP3:3.6
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:751.77490
Monoisotopic Mass:747.77900
Topological Polar Surface Area:177
Heavy Atom Count:35
Complexity:710
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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